CHEMBL414074


SMILES N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChIKey KEAHYTRPVNOHKL-ZHFJCBJKSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 13
Rotatable bonds 19
Molecular weight (Da) 1053.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Rat Vasopressin and oxytocin A pKi 6.95 6.95 6.95 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 6.35 6.35 6.35 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database